N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxamide

C23H35N3O2 — CID 46966514

IUPACN-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxamide
SMILESCC(C)C(=O)NCC1CCC(C(=O)NCc2ccc3c(c2)CCCN3C)CC1
InChIInChI=1S/C23H35N3O2/c1-16(2)22(27)24-14-17-6-9-19(10-7-17)23(28)25-15-18-8-11-21-20(13-18)5-4-12-26(21)3/h8,11,13,16-17,19H,4-7,9-10,12,14-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyZNGUHTKPKLZJOF-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.26
Rot. Bonds6

About N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxamide

N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxamide (PubChem CID 46966514) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxamide
PubChem CID46966514
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxamide
SMILESCC(C)C(=O)NCC1CCC(C(=O)NCc2ccc3c(c2)CCCN3C)CC1
InChIInChI=1S/C23H35N3O2/c1-16(2)22(27)24-14-17-6-9-19(10-7-17)23(28)25-15-18-8-11-21-20(13-18)5-4-12-26(21)3/h8,11,13,16-17,19H,4-7,9-10,12,14-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyZNGUHTKPKLZJOF-UHFFFAOYSA-N
XLogP3.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propanamide
CID 16837096
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol
CID 106125778
1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 110478717
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide
CID 62097569
(3S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95168266
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 56800974
2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]propanamide
CID 40948904
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 86870775
2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 110481403
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 62095155
(3S)-1-(2-bromophenyl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 94829210

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxamide (CID 46966514) is N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxamide is CC(C)C(=O)NCC1CCC(C(=O)NCc2ccc3c(c2)CCCN3C)CC1.
What is the InChIKey of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxamide?
The InChIKey is ZNGUHTKPKLZJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-16(2)22(27)24-14-17-6-9-19(10-7-17)23(28)25-15-18-8-11-21-20(13-18)5-4-12-26(21)3/h8,11,13,16-17,19H,4-7,9-10,12,14-15H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxamide?
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 46966514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).